SCHEMBL21775709

SCHEMBL21775709

Nc1cc(-c2c(F)cc(Cl)cc2F)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
ALPL P05186 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 1/20 0.30
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28165622 0.86 ALPL (0.33) ALPL
SCHEMBL7003394 0.81 ALOX5AP (0.40) NOS3NOS1NOS2MAPT
SCHEMBL21775851 0.79 KMO (0.42) IDO1ALPLMKNK2MAPT
SCHEMBL3339364 0.76 IKBKE (0.38) ALPLMKNK1MKNK2TP53MAPT
SCHEMBL14726281 0.75 CASP1 (0.44) IDO1TDO2TP53MAPT
SCHEMBL3340666 0.73 CHEK1 (0.43) ALPLMAPT
SCHEMBL15656631 0.72 NOTUM (0.44) IDO1TDO2ALPLMAPT
SCHEMBL14726272 0.72 KMO (0.42) TP53MAPT
SCHEMBL10626865 0.71 NOTUM (0.32)
SCHEMBL474802 0.71 ALPL (0.54) ALPLMKNK1MKNK2TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-03-30 US disclosed
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, P2RX5, P2RY1 IDO1 1005/4885TDO2 2209/4885ALPL 2006/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 IDO1 1005/4885TDO2 2209/4885ALPL 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.